9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine

C59H43N — CID 89086171

About 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine (PubChem CID 89086171) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine
• PubChem CID: 89086171
• Molecular Formula: C59H43N
• Molecular Weight: 766.00 g/mol
• Exact Mass: 765.34
• IUPAC Name: 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine
• SMILES: CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c5c4CCC=C5)cc3)c3cccc4ccccc34)ccc21
• InChI: InChI=1S/C59H43N/c1-59(2)55-24-12-11-21-49(55)54-37-45(32-33-56(54)59)60(57-25-13-17-39-15-5-6-18-46(39)57)44-30-28-40(29-31-44)52-35-43-36-53(42-27-26-38-14-3-4-16-41(38)34-42)48-20-8-10-23-51(48)58(43)50-22-9-7-19-47(50)52/h3-6,8-18,20-37H,7,19H2,1-2H3
• InChIKey: MWIKTNLDTRXOJV-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.00
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine?

The IUPAC name of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine (CID 89086171) is 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine.

What is the SMILES notation for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine?

The canonical SMILES for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4cc5cc(-c6ccc7ccccc7c6)c6ccccc6c5c5c4CCC=C5)cc3)c3cccc4ccccc34)ccc21.

What is the InChIKey of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine?

The InChIKey is MWIKTNLDTRXOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)55-24-12-11-21-49(55)54-37-45(32-33-56(54)59)60(57-25-13-17-39-15-5-6-18-46(39)57)44-30-28-40(29-31-44)52-35-43-36-53(42-27-26-38-14-3-4-16-41(38)34-42)48-20-8-10-23-51(48)58(43)50-22-9-7-19-47(50)52/h3-6,8-18,20-37H,7,19H2,1-2H3.

What are the key properties of 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine?

9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine has a molecular weight of 766.00 g/mol, XLogP of 16.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-naphthalen-1-yl-N-[4-(5-naphthalen-2-yl-9,10-dihydrobenzo[c]phenanthren-8-yl)phenyl]fluoren-3-amine is sourced from PubChem (CID 89086171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).